Vitas-M small molecule compound
(1Z,2E)-1-{2-(4-methoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Catalog ID
STK573199
SMILES COc1ccc(cc1)C1/C(=C(\C=C\c2ccccc2)/[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H30N2O5 MW 462.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5/c1-33-22-11-9-21(10-12-22)25-24(23(30)13-8-20-6-3-2-4-7-20)26(31)27(32)29(25)15-5-14-28-16-18-34-19-17-28/h2-4,6-13,25,30H,5,14-19H2,1H3/b13-8+,24-23-InChIKey
CLNAKVFNEFNREB-QQEJTYDVSA-NSynonyms
(1Z2E)1(2(4methoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)3phenylprop2en1olate
COc1ccc(cc1)C1C(=C(C=Cc2ccccc2)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
MFCD07205515
ZINC000009088970
ZINC000009088971
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